SCHEMBL21650123

SCHEMBL21650123

CCC(C)(C)c1ccc2nn[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ SCN10A Q9Y5Y9 5/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PLK4 O00444 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20374955 0.87 SCN10A (0.35) SCN10AKCNH2
SCHEMBL1023455 0.87 NPC1 (0.38) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL10261363 0.82 SCN10A (0.47) SCN10AKCNH2PLK4CHEK1AURKA
SCHEMBL18800270 0.81 ESR1 (0.36) SCN10AKCNH2
SCHEMBL21022845 0.78 SCN10A (0.34) SCN10AKCNH2
SCHEMBL25086236 0.77 HRH4 (0.34) —
SCHEMBL7855336 0.75 METAP2 (0.49) SCN10AKCNH2DYRK1A
SCHEMBL21022998 0.75 PDE10A (0.46) SCN10AKCNH2PLK4CHEK1AURKA
SCHEMBL18687266 0.74 CNR2 (0.35) SCN10A
SCHEMBL13596561 0.73 MMP12 (0.47) RAB9ASMN1; SMN2MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 — — US disclosed
US-10759813-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-01 — — US disclosed
US-20200031847-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10759813-B2 Neprilysin inhibitors MME, REN, ACE NPC1 194/4885RAB9A 1357/4885MAPK1 1373/4885
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 NPC1 4626/4885RAB9A 3100/4885MAPK1 2079/4885
US-20200031847-A1 NEPRILYSIN INHIBITORS MME, REN, ACE NPC1 194/4885RAB9A 1357/4885MAPK1 1373/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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